[gmx-users] GMX 5.0.5 x2top segfaults

[Justin Lemkul]

On 6/15/15 10:21 PM, Alex wrote:
> Ahoy all. What's going on with the latest version of x2top? It
> spectacularly segfaults at the point of doing dihedrals. Identical setup (local
> oplsaa.ff with some customization) works flawlessly with 4.6.5 and the
> resulting topologies are all perfectly reasonable. Not cool.
>
> Any suggestions, besides having an old version around? I already have
> that, and it's a bit less than kosher.
>

Known bug.

http://redmine.gromacs.org/issues/1711

Until someone has time to fix it, you have to use something in the 4.6.x series. 
  In trying to fix pdb2gmx to do funny things like having angles without bonds, 
that broke x2top.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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